CID 217174

38221-46-4

Structural Information

Molecular Formula
C12H18N4O
SMILES
CN1CCN(CC1)CNC(=O)C2=CN=CC=C2
InChI
InChI=1S/C12H18N4O/c1-15-5-7-16(8-6-15)10-14-12(17)11-3-2-4-13-9-11/h2-4,9H,5-8,10H2,1H3,(H,14,17)
InChIKey
LEKLMQGQIOCIPL-UHFFFAOYSA-N
Compound name
N-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.14806 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15534 155.4
[M+Na]+ 257.13728 159.9
[M-H]- 233.14078 157.0
[M+NH4]+ 252.18188 168.2
[M+K]+ 273.11122 156.9
[M+H-H2O]+ 217.14532 145.3
[M+HCOO]- 279.14626 172.6
[M+CH3COO]- 293.16191 192.6
[M+Na-2H]- 255.12273 160.2
[M]+ 234.14751 150.7
[M]- 234.14861 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe